CID 70670

Ethyl (triphenylphosphoranylidene)acetate

Structural Information

Molecular Formula
C22H21O2P
SMILES
CCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H21O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
InChIKey
IIHPVYJPDKJYOU-UHFFFAOYSA-N
Compound name
ethyl 2-(triphenyl-lambda5-phosphanylidene)acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

8178
Patents

348.12793 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13521 187.2
[M+Na]+ 371.11715 191.4
[M-H]- 347.12065 194.6
[M+NH4]+ 366.16175 199.5
[M+K]+ 387.09109 186.0
[M+H-H2O]+ 331.12519 175.2
[M+HCOO]- 393.12613 213.0
[M+CH3COO]- 407.14178 211.2
[M+Na-2H]- 369.10260 188.3
[M]+ 348.12738 187.0
[M]- 348.12848 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe